4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide

C19H20BrFN2O4 — CID 56500087

IUPAC4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc(OC)c1Br
InChIInChI=1S/C19H20BrFN2O4/c1-25-16-9-12(10-17(26-2)18(16)20)19(24)22-13-3-4-15(14(21)11-13)23-5-7-27-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,22,24)
InChIKeyZLQXUGXJWAGFDJ-UHFFFAOYSA-N
MW439.28 g/mol
LogP3.69
Rot. Bonds5

About 4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide

4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide (PubChem CID 56500087) has the molecular formula C19H20BrFN2O4 and a molecular weight of 439.28 g/mol. Its IUPAC name is 4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
PubChem CID56500087
Molecular FormulaC19H20BrFN2O4
Molecular Weight439.28 g/mol
Exact Mass438.06
IUPAC Name4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc(OC)c1Br
InChIInChI=1S/C19H20BrFN2O4/c1-25-16-9-12(10-17(26-2)18(16)20)19(24)22-13-3-4-15(14(21)11-13)23-5-7-27-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,22,24)
InChIKeyZLQXUGXJWAGFDJ-UHFFFAOYSA-N
XLogP3.69
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 17027234
tert-butyl N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamate
CID 56500216
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 46968940
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127084
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 3728936
N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide
CID 11625416
4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide
CID 26586057
N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 28688979
4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
N-(3-fluoro-4-morpholin-4-ylphenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 56500100

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide (CID 56500087) is 4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide is COc1cc(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide?
The InChIKey is ZLQXUGXJWAGFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O4/c1-25-16-9-12(10-17(26-2)18(16)20)19(24)22-13-3-4-15(14(21)11-13)23-5-7-27-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,22,24).
What are the key properties of 4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide?
4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide has a molecular weight of 439.28 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 56500087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).